Manganese in PDB 3qi5: Crystal Structure of Human Alkyladenine Dna Glycosylase in Complex with 3,N4-Ethenocystosine Containing Duplex Dna

All present enzymatic activity of Crystal Structure of Human Alkyladenine Dna Glycosylase in Complex with 3,N4-Ethenocystosine Containing Duplex Dna:
3.2.2.21;

The structure of Crystal Structure of Human Alkyladenine Dna Glycosylase in Complex with 3,N4-Ethenocystosine Containing Duplex Dna, PDB code: 3qi5 was solved by G.M.Lingaraju, C.A.Davis, J.W.Setser, L.D.Samson, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.00 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.226, 41.220, 82.144, 81.23, 88.40, 89.15
R / Rfree (%)	23.6 / 28.4

The binding sites of Manganese atom in the Crystal Structure of Human Alkyladenine Dna Glycosylase in Complex with 3,N4-Ethenocystosine Containing Duplex Dna (pdb code 3qi5). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Human Alkyladenine Dna Glycosylase in Complex with 3,N4-Ethenocystosine Containing Duplex Dna, PDB code: 3qi5:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Human Alkyladenine Dna Glycosylase in Complex with 3,N4-Ethenocystosine Containing Duplex Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Human Alkyladenine Dna Glycosylase in Complex with 3,N4-Ethenocystosine Containing Duplex Dna within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn1 b:28.0 occ:1.00 O D:HOH270 2.0 22.6 1.0 O D:HOH243 2.2 2.0 1.0 O D:HOH206 2.3 6.8 1.0 O6 D:DG19 2.3 17.5 1.0 N7 D:DA18 2.5 19.8 1.0 C6 D:DG19 3.3 17.8 1.0 C8 D:DA18 3.4 20.1 1.0 C5 D:DA18 3.5 19.9 1.0 N6 D:DA18 3.6 19.5 1.0 N7 D:DG19 3.7 17.5 1.0 C5 D:DG19 3.8 17.8 1.0 C6 D:DA18 4.0 19.6 1.0 C2' D:DA17 4.0 21.3 1.0 O6 C:DG6 4.1 12.1 1.0 O C:HOH45 4.3 9.6 1.0 N1 D:DG19 4.5 17.7 1.0 O D:HOH259 4.5 30.4 1.0 N9 D:DA18 4.6 20.6 1.0 C4 D:DA18 4.6 20.2 1.0 C8 D:DG19 4.9 17.9 1.0 C3' D:DA17 5.0 21.9 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Human Alkyladenine Dna Glycosylase in Complex with 3,N4-Ethenocystosine Containing Duplex Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Human Alkyladenine Dna Glycosylase in Complex with 3,N4-Ethenocystosine Containing Duplex Dna within 5.0Å range: probe atom residue distance (Å) B Occ F:Mn2 b:44.0 occ:1.00 O E:HOH226 2.2 32.9 1.0 O F:HOH225 2.4 21.5 1.0 O6 F:DG19 2.4 17.5 1.0 N7 F:DA18 2.5 19.9 1.0 O F:HOH244 2.5 9.7 1.0 C8 F:DA18 3.3 20.2 1.0 C6 F:DG19 3.3 17.8 1.0 C5 F:DA18 3.5 20.0 1.0 N7 F:DG19 3.7 17.6 1.0 N6 F:DA18 3.8 19.5 1.0 C5 F:DG19 3.9 17.7 1.0 C6 F:DA18 4.0 19.6 1.0 O E:HOH227 4.2 12.1 1.0 O6 E:DG6 4.2 12.0 1.0 C2' F:DA17 4.4 21.5 1.0 OP2 F:DA18 4.4 24.3 1.0 N1 F:DG19 4.5 18.0 1.0 N9 F:DA18 4.5 20.6 1.0 C4 F:DA18 4.6 20.2 1.0 C8 F:DG19 5.0 18.1 1.0 N4 F:DC20 5.0 12.9 1.0

G.M.Lingaraju, C.A.Davis, J.W.Setser, L.D.Samson, C.L.Drennan. Structural Basis For the Inhibition of Human Alkyladenine Dna Glycosylase (Aag) By 3,N4-Ethenocytosine-Containing Dna. J.Biol.Chem. V. 286 13205 2011.
ISSN: ISSN 0021-9258
PubMed: 21349833
DOI: 10.1074/JBC.M110.192435